REMARK Name = BDB000384 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.043 -0.597 0.421 0.00 0.00 +0.080 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 1.974 -1.093 1.806 0.00 0.00 -0.325 NA ATOM 3 H LIG 1 1.019 -1.073 2.152 0.00 0.00 +0.119 HD ATOM 4 H LIG 1 2.491 -0.420 2.382 0.00 0.00 +0.119 HD ENDBRANCH 1 2 BRANCH 1 5 ATOM 5 C LIG 1 1.111 0.626 0.220 0.00 0.00 +0.025 C BRANCH 5 6 ATOM 6 C LIG 1 -0.415 0.346 0.326 0.00 0.00 -0.003 C BRANCH 6 7 ATOM 7 C LIG 1 -1.252 1.664 0.441 0.00 0.00 -0.014 C ATOM 8 C LIG 1 -1.033 2.648 -0.711 0.00 0.00 +0.007 C ATOM 9 C LIG 1 -1.013 2.378 1.779 0.00 0.00 +0.007 C ENDBRANCH 6 7 BRANCH 6 10 ATOM 10 C LIG 1 -0.882 -0.541 -0.859 0.00 0.00 +0.039 C BRANCH 10 15 ATOM 11 C LIG 1 -4.618 -0.976 -1.490 0.00 0.00 +0.162 A ATOM 12 C LIG 1 -4.975 -1.938 -0.535 0.00 0.00 +0.162 A ATOM 13 C LIG 1 -3.988 -2.427 0.323 0.00 0.00 +0.049 A ATOM 14 C LIG 1 -2.668 -1.973 0.217 0.00 0.00 +0.007 A ATOM 15 C LIG 1 -2.310 -1.023 -0.748 0.00 0.00 -0.043 A ATOM 16 C LIG 1 -3.296 -0.536 -1.612 0.00 0.00 +0.053 A BRANCH 12 17 ATOM 17 O LIG 1 -6.296 -2.302 -0.503 0.00 0.00 -0.491 OA ATOM 18 C LIG 1 -6.633 -3.436 0.286 0.00 0.00 +0.277 C ENDBRANCH 12 17 BRANCH 11 19 ATOM 19 O LIG 1 -5.579 -0.516 -2.358 0.00 0.00 -0.488 OA BRANCH 19 20 ATOM 20 C LIG 1 -5.831 0.880 -2.166 0.00 0.00 +0.231 C BRANCH 20 21 ATOM 21 C LIG 1 -7.244 1.195 -2.643 0.00 0.00 +0.069 C BRANCH 21 22 ATOM 22 C LIG 1 -8.296 0.417 -1.862 0.00 0.00 +0.163 C BRANCH 22 24 ATOM 23 C LIG 1 -10.625 0.174 -1.599 0.00 0.00 +0.193 C ATOM 24 O LIG 1 -9.587 0.876 -2.272 0.00 0.00 -0.383 OA ENDBRANCH 22 24 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 11 19 ENDBRANCH 10 15 ENDBRANCH 6 10 ENDBRANCH 5 6 ENDBRANCH 1 5 BRANCH 1 25 ATOM 25 C LIG 1 3.519 -0.211 0.074 0.00 0.00 +0.132 C BRANCH 25 26 ATOM 26 O LIG 1 3.952 0.791 1.000 0.00 0.00 -0.390 OA ATOM 27 H LIG 1 4.729 1.246 0.621 0.00 0.00 +0.210 HD ENDBRANCH 25 26 BRANCH 25 28 ATOM 28 C LIG 1 4.454 -1.437 0.131 0.00 0.00 +0.045 C BRANCH 28 29 ATOM 29 C LIG 1 5.900 -1.198 -0.345 0.00 0.00 +0.074 C ATOM 30 C LIG 1 5.972 -0.679 -1.780 0.00 0.00 +0.017 C BRANCH 29 31 ATOM 31 C LIG 1 6.643 -0.273 0.610 0.00 0.00 +0.216 C ATOM 32 N LIG 1 7.059 -0.876 1.775 0.00 0.00 -0.315 N ATOM 33 H LIG 1 6.729 -1.811 1.981 0.00 0.00 +0.149 HD ATOM 34 O LIG 1 6.812 0.923 0.377 0.00 0.00 -0.276 OA BRANCH 32 35 ATOM 35 C LIG 1 7.668 -0.118 2.856 0.00 0.00 +0.113 C BRANCH 35 36 ATOM 36 C LIG 1 9.095 0.318 2.541 0.00 0.00 +0.114 C BRANCH 36 37 ATOM 37 C LIG 1 9.241 1.815 2.663 0.00 0.00 +0.212 C ATOM 38 O LIG 1 9.802 2.360 3.606 0.00 0.00 -0.276 OA ATOM 39 N LIG 1 8.705 2.537 1.640 0.00 0.00 -0.329 N ATOM 40 H LIG 1 8.684 3.542 1.741 0.00 0.00 +0.145 HD ATOM 41 H LIG 1 8.018 2.114 1.014 0.00 0.00 +0.145 HD ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 32 35 ENDBRANCH 29 31 ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 1 25 TORSDOF 20